Home Sulfos 5-Bromo-2-methanesulfonylbenzonitrile

5-Bromo-2-methanesulfonylbenzonitrile

CAS No.:
1379309-82-6
Catalog Number:
AG00HV4N
Molecular Formula:
C8H6BrNO2S
Molecular Weight:
260.1077
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$188
- +
1g
95%
In Stock USA
United States
$438
- +
5g
95%
In Stock USA
United States
$1500
- +
10g
95%
In Stock USA
United States
$2825
- +
Product Description
Catalog Number:
AG00HV4N
Chemical Name:
5-Bromo-2-methanesulfonylbenzonitrile
CAS Number:
1379309-82-6
Molecular Formula:
C8H6BrNO2S
Molecular Weight:
260.1077
MDL Number:
MFCD18378496
IUPAC Name:
5-bromo-2-methylsulfonylbenzonitrile
InChI:
InChI=1S/C8H6BrNO2S/c1-13(11,12)8-3-2-7(9)4-6(8)5-10/h2-4H,1H3
InChI Key:
JMWPOMUBCLADSB-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Br)ccc1S(=O)(=O)C
Properties
Complexity:
324  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.93g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.105g/mol
Monoisotopic Mass:
258.93g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties